UCSF

ZINC32153978

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 14 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.64 3.14 -45.73 1 4 -1 69 212.147 6
Lo Low (pH 4.5-6) 0.64 1.16 -10.79 2 4 0 66 213.155 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )